3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate
TL;DR: 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate (CAS 869080-11-5) is a chemical compound with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-2-oxochromen-7-yl] propanoate
Also Known As: 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate, 3-(4-chlorophenyl)-2-oxochromen-7-yl propanoate, [3-(4-chlorophenyl)-2-oxochromen-7-yl] propanoate, 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propionate, F1862-0254
| Molecular Formula | C18H13ClO4 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 4.4288 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.05023 |
| Heavy Atoms | 23 |
| Complexity | 925.8996 |
Chemical Identifiers
| CAS Number | 869080-11-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate (CAS 869080-11-5), with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol. IUPAC: [3-(4-chlorophenyl)-2-oxochromen-7-yl] propanoate.
Chemical Property Profile of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate
Property Insights of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate
The XLogP value of 4.4288 indicates that 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate?
The CAS number of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate is 869080-11-5.
What is the molecular formula of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate?
The molecular formula of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate is C18H13ClO4.
What is the molecular weight of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate?
The molecular weight of 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate is 328.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate?
You can request a quote for 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.